Sugi Predict

Sugi Predict / Compounds / SCHEMBL341737

SCHEMBL341737

SCHEMBL341737

CN1CCN(c2ccc(Nc3ncc4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4n3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.65
▸ CDK4 P11802 8/20 0.60
▸ CCND3 P30281 6/20 0.60
▸ CCND1 P24385 6/20 0.60
▸ CCND2 P30279 5/20 0.60
▸ SYK P43405 1/20 0.55
▸ JAK2 O60674 2/20 0.54
▸ JAK3 P52333 1/20 0.54
▸ PTK2 Q05397 1/20 0.54
▸ CCNA2 P20248 3/20 0.54
▸ CDK2 P24941 3/20 0.54
▸ CDK6 Q00534 2/20 0.54
▸ CCNK O75909 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ CCNE2 O96020 2/20 0.51
▸ CCNE1 P24864 2/20 0.51
▸ CCNA1 P78396 2/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ PAK1 Q13153 1/20 0.51
▸ PKN1 Q16512 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12639344 0.91 CDK4 (0.69) EGFRCDK4CCND3CCND1CCND2
SCHEMBL1355734 0.91 CDK4 (0.69) EGFRCDK4CCND3CCND1CCND2
SCHEMBL343787 0.87 CDK4 (0.54) EGFRCDK4CCND3CCND1CCND2
SCHEMBL2587928 0.84 AURKA (0.49) EGFRCDK4CCND3CCND1CCND2
SCHEMBL344178 0.82 CDK4 (0.71) EGFRCDK4CCND3CCND1CCND2
SCHEMBL343214 0.82 CDK4 (0.59) EGFRCDK4CCND3CCND1CCND2
SCHEMBL343786 0.82 CDK4 (0.54) EGFRCDK4CCND3CCND1CCND2
SCHEMBL344014 0.82 CDK4 (0.73) EGFRCDK4CCND3CCND1CCND2
SCHEMBL1355087 0.82 CDK4 (0.73) EGFRCDK4CCND3CCND1CCND2
SCHEMBL12639355 0.81 CDK4 (0.58) CDK4CCND3CCND1CCND2CCNA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US claimed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
WO-2011156698-A2 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2011-12-15 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 EGFR 3549/4885CDK4 71/4885CCND3 208/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.